#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:20:14 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179785 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/81/7008180.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7008180
loop_
_publ_author_name
'Kanderal, Olga M.'
'Kozlowski, Henryk'
'Dobosz, Agnieszka'
'Swiatek-Kozlowska, Jolanta'
'Meyer, Franc'
'Fritsky, Igor O.'
_publ_section_title
;
 Effect of metal ionic radius and chelate ring alternation motif on
 stabilization of trivalent nickel and copper in binuclear complexes
 with double cis-oximato bridges.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1428
_journal_page_last               1437
_journal_paper_doi               10.1039/b418598f
_journal_year                    2005
_chemical_formula_sum            'C14 H30 Cl Co N8 Ni O9'
_chemical_formula_weight         607.55
_chemical_name_common
;
(tris(2-aminoethyl)amine)-cobalt(iii)(N,N'-bis(2-
Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(ii) perchlorate
monohydrate
;
_chemical_name_systematic
;
(tris(2-aminoethyl)amine)-cobalt(III)(N,N'-bis(2-Hydroxyiminopropionyl)
ethane-1,2-diamine)-nickel(II) perchlorate monohydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.93(3)
_cell_angle_beta                 81.40(3)
_cell_angle_gamma                80.95(3)
_cell_formula_units_Z            2
_cell_length_a                   7.979(2)
_cell_length_b                   11.528(2)
_cell_length_c                   12.454(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1117.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.744
_diffrn_measured_fraction_theta_max 0.744
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5822
_diffrn_reflns_theta_full        32.10
_diffrn_reflns_theta_max         32.10
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.770
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.960
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+0.8643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                5235
_reflns_number_total             5822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b418598f.txt
_cod_data_source_block           6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008180
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.21124(2) 0.216314(16) 0.46535(2) 0.01206(7) Uani 1 1 d . . .
Co1 Co 0.26484(2) 0.249024(17) 0.73378(2) 0.01031(7) Uani 1 1 d . . .
Cl1 Cl 0.33665(5) 0.70409(3) -0.12578(4) 0.01735(10) Uani 1 1 d . . .
O1 O 0.33018(15) 0.35222(10) 0.61358(11) 0.0163(3) Uani 1 1 d . . .
O2 O 0.13186(16) 0.50994(10) 0.28967(12) 0.0190(3) Uani 1 1 d . . .
O3 O 0.20804(15) -0.10108(10) 0.37691(11) 0.0168(3) Uani 1 1 d . . .
O4 O 0.32042(14) 0.10215(10) 0.66344(11) 0.0143(3) Uani 1 1 d . . .
O5 O 0.35273(18) 0.65880(12) -0.23122(13) 0.0245(3) Uani 1 1 d . . .
O6 O 0.27120(19) 0.61889(12) -0.04473(13) 0.0282(3) Uani 1 1 d . . .
O7 O 0.21558(19) 0.81216(12) -0.11841(14) 0.0303(4) Uani 1 1 d . . .
O8 O 0.50018(19) 0.72581(17) -0.10380(15) 0.0386(4) Uani 1 1 d . . .
O1W O 0.42049(17) 0.57909(11) 0.15370(16) 0.0227(3) Uani 1 1 d . . .
N1 N 0.25805(16) 0.35084(12) 0.52278(13) 0.0138(3) Uani 1 1 d . . .
N2 N 0.15104(18) 0.31643(12) 0.35337(14) 0.0162(3) Uani 1 1 d . . .
N3 N 0.16831(18) 0.10137(12) 0.38482(14) 0.0156(3) Uani 1 1 d . . .
N4 N 0.26617(16) 0.09368(11) 0.56694(13) 0.0122(3) Uani 1 1 d . . .
N5 N 0.20778(15) 0.16402(11) 0.87285(13) 0.0114(3) Uani 1 1 d . . .
N6 N 0.50187(16) 0.21528(11) 0.76279(13) 0.0130(3) Uani 1 1 d . . .
H6A H 0.5689 0.1838 0.7042 0.016 Uiso 1 1 calc R . .
H6B H 0.5380 0.2828 0.7745 0.016 Uiso 1 1 calc R . .
N7 N 0.21674(17) 0.39272(11) 0.81387(13) 0.0152(3) Uani 1 1 d . . .
H7A H 0.3161 0.4171 0.8210 0.018 Uiso 1 1 calc R . .
H7B H 0.1557 0.4495 0.7763 0.018 Uiso 1 1 calc R . .
N8 N 0.02374(16) 0.25638(11) 0.71475(13) 0.0131(3) Uani 1 1 d . . .
H8A H -0.0240 0.3319 0.7060 0.016 Uiso 1 1 calc R . .
H8B H 0.0170 0.2193 0.6547 0.016 Uiso 1 1 calc R . .
C1 C 0.2727(2) 0.56448(15) 0.48715(18) 0.0187(4) Uani 1 1 d . . .
H1A H 0.2849 0.5638 0.5627 0.028 Uiso 1 1 calc R . .
H1B H 0.1802 0.6244 0.4717 0.028 Uiso 1 1 calc R . .
H1C H 0.3771 0.5805 0.4436 0.028 Uiso 1 1 calc R . .
C2 C 0.23541(19) 0.44802(14) 0.46142(16) 0.0154(4) Uani 1 1 d . . .
C3 C 0.16719(19) 0.42750(13) 0.35936(16) 0.0155(4) Uani 1 1 d . . .
C4 C 0.0837(2) 0.26852(15) 0.26639(17) 0.0197(4) Uani 1 1 d . . .
H4A H 0.1265 0.3033 0.1964 0.024 Uiso 1 1 calc R . .
H4B H -0.0405 0.2845 0.2767 0.024 Uiso 1 1 calc R . .
C5 C 0.1453(2) 0.13542(15) 0.27162(17) 0.0194(4) Uani 1 1 d . . .
H5A H 0.0611 0.0936 0.2490 0.023 Uiso 1 1 calc R . .
H5B H 0.2527 0.1168 0.2240 0.023 Uiso 1 1 calc R . .
C6 C 0.20853(18) -0.00831(13) 0.42343(16) 0.0133(4) Uani 1 1 d . . .
C7 C 0.26246(19) -0.01080(13) 0.53457(16) 0.0133(4) Uani 1 1 d . . .
C8 C 0.3135(2) -0.12195(14) 0.59700(17) 0.0188(4) Uani 1 1 d . . .
H8C H 0.4345 -0.1323 0.5997 0.028 Uiso 1 1 calc R . .
H8D H 0.2861 -0.1868 0.5621 0.028 Uiso 1 1 calc R . .
H8E H 0.2527 -0.1186 0.6696 0.028 Uiso 1 1 calc R . .
C9 C 0.35967(18) 0.07304(13) 0.88668(16) 0.0142(4) Uani 1 1 d . . .
H9A H 0.3653 0.0096 0.8385 0.017 Uiso 1 1 calc R . .
H9B H 0.3508 0.0405 0.9609 0.017 Uiso 1 1 calc R . .
C10 C 0.51911(18) 0.13210(14) 0.85957(16) 0.0153(4) Uani 1 1 d . . .
H10A H 0.5337 0.1746 0.9212 0.018 Uiso 1 1 calc R . .
H10B H 0.6193 0.0731 0.8441 0.018 Uiso 1 1 calc R . .
C11 C 0.1753(2) 0.24744(14) 0.96373(16) 0.0154(4) Uani 1 1 d . . .
H11A H 0.2789 0.2438 0.9966 0.018 Uiso 1 1 calc R . .
H11B H 0.0865 0.2238 1.0191 0.018 Uiso 1 1 calc R . .
C12 C 0.1201(2) 0.37320(15) 0.92230(18) 0.0199(4) Uani 1 1 d . . .
H12A H -0.0019 0.3858 0.9180 0.024 Uiso 1 1 calc R . .
H12B H 0.1426 0.4282 0.9719 0.024 Uiso 1 1 calc R . .
C13 C 0.05384(19) 0.10904(14) 0.86347(16) 0.0148(4) Uani 1 1 d . . .
H13A H 0.0019 0.0835 0.9349 0.018 Uiso 1 1 calc R . .
H13B H 0.0863 0.0410 0.8192 0.018 Uiso 1 1 calc R . .
C14 C -0.07179(18) 0.19984(14) 0.81147(16) 0.0151(4) Uani 1 1 d . . .
H14A H -0.1612 0.1625 0.7894 0.018 Uiso 1 1 calc R . .
H14B H -0.1249 0.2586 0.8630 0.018 Uiso 1 1 calc R . .
H1W1 H 0.353(3) 0.543(2) 0.194(2) 0.022(6) Uiso 1 1 d . . .
H2W1 H 0.392(5) 0.578(3) 0.092(3) 0.066(12) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ni1 N3 85.42(7) . . ?
N2 Ni1 N1 84.25(7) . . ?
N3 Ni1 N1 169.08(7) . . ?
N2 Ni1 N4 170.54(7) . . ?
N3 Ni1 N4 85.12(7) . . ?
N1 Ni1 N4 105.19(7) . . ?
N2 Ni1 Co1 134.92(5) . . ?
N3 Ni1 Co1 137.57(5) . . ?
N1 Ni1 Co1 53.33(5) . . ?
N4 Ni1 Co1 54.28(5) . . ?
O1 Co1 O4 99.26(6) . . ?
O1 Co1 N7 83.62(6) . . ?
O4 Co1 N7 175.86(6) . . ?
O1 Co1 N6 90.29(6) . . ?
O4 Co1 N6 83.77(6) . . ?
N7 Co1 N6 93.27(7) . . ?
O1 Co1 N5 169.84(6) . . ?
O4 Co1 N5 89.69(6) . . ?
N7 Co1 N5 87.20(6) . . ?
N6 Co1 N5 85.88(6) . . ?
O1 Co1 N8 97.95(6) . . ?
O4 Co1 N8 90.17(6) . . ?
N7 Co1 N8 92.38(6) . . ?
N6 Co1 N8 170.48(6) . . ?
N5 Co1 N8 86.75(6) . . ?
O1 Co1 Ni1 54.99(4) . . ?
O4 Co1 Ni1 56.21(5) . . ?
N7 Co1 Ni1 127.86(5) . . ?
N6 Co1 Ni1 114.67(6) . . ?
N5 Co1 Ni1 135.05(4) . . ?
N8 Co1 Ni1 67.16(6) . . ?
O5 Cl1 O8 110.25(10) . . ?
O5 Cl1 O7 110.30(10) . . ?
O8 Cl1 O7 109.69(10) . . ?
O5 Cl1 O6 109.11(9) . . ?
O8 Cl1 O6 109.54(11) . . ?
O7 Cl1 O6 107.91(9) . . ?
N1 O1 Co1 118.18(9) . . ?
N1 O1 O4 92.34(9) . . ?
Co1 O1 O4 40.55(4) . . ?
N4 O4 Co1 119.09(9) . . ?
N4 O4 O1 89.73(9) . . ?
Co1 O4 O1 40.20(4) . . ?
C2 N1 O1 118.98(14) . . ?
C2 N1 Ni1 115.52(13) . . ?
O1 N1 Ni1 125.03(11) . . ?
C3 N2 C4 125.24(16) . . ?
C3 N2 Ni1 117.00(14) . . ?
C4 N2 Ni1 117.72(11) . . ?
C6 N3 C5 125.00(16) . . ?
C6 N3 Ni1 115.91(13) . . ?
C5 N3 Ni1 116.18(11) . . ?
C7 N4 O4 118.28(14) . . ?
C7 N4 Ni1 114.28(13) . . ?
O4 N4 Ni1 127.23(10) . . ?
C13 N5 C9 111.42(12) . . ?
C13 N5 C11 112.17(13) . . ?
C9 N5 C11 110.18(14) . . ?
C13 N5 Co1 106.58(11) . . ?
C9 N5 Co1 106.35(11) . . ?
C11 N5 Co1 109.91(10) . . ?
C10 N6 Co1 111.41(10) . . ?
C12 N7 Co1 111.07(10) . . ?
C14 N8 Co1 110.22(11) . . ?
N1 C2 C1 125.33(18) . . ?
N1 C2 C3 111.49(15) . . ?
C1 C2 C3 123.18(15) . . ?
O2 C3 N2 126.18(18) . . ?
O2 C3 C2 122.15(15) . . ?
N2 C3 C2 111.67(16) . . ?
N2 C4 C5 106.39(15) . . ?
N3 C5 C4 107.03(16) . . ?
O3 C6 N3 127.22(18) . . ?
O3 C6 C7 121.53(15) . . ?
N3 C6 C7 111.24(15) . . ?
N4 C7 C8 124.29(17) . . ?
N4 C7 C6 113.00(15) . . ?
C8 C7 C6 122.66(15) . . ?
N5 C9 C10 107.81(12) . . ?
N6 C10 C9 109.51(13) . . ?
N5 C11 C12 111.10(16) . . ?
N7 C12 C11 108.87(14) . . ?
N5 C13 C14 108.03(12) . . ?
N8 C14 C13 108.29(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N2 1.8180(17) . ?
Ni1 N3 1.8201(16) . ?
Ni1 N1 1.8644(15) . ?
Ni1 N4 1.8731(16) . ?
Ni1 Co1 3.4869(7) . ?
Co1 O1 1.9070(14) . ?
Co1 O4 1.9207(13) . ?
Co1 N7 1.9510(15) . ?
Co1 N6 1.9524(14) . ?
Co1 N5 1.9573(16) . ?
Co1 N8 1.9612(14) . ?
Cl1 O5 1.4281(17) . ?
Cl1 O8 1.4351(15) . ?
Cl1 O7 1.4507(15) . ?
Cl1 O6 1.4558(15) . ?
O1 N1 1.345(2) . ?
O1 O4 2.9162(17) . ?
O2 C3 1.268(2) . ?
O3 C6 1.253(2) . ?
O4 N4 1.352(2) . ?
N1 C2 1.314(2) . ?
N2 C3 1.315(2) . ?
N2 C4 1.456(3) . ?
N3 C6 1.329(2) . ?
N3 C5 1.467(3) . ?
N4 C7 1.303(2) . ?
N5 C13 1.4908(19) . ?
N5 C9 1.4951(19) . ?
N5 C11 1.504(2) . ?
N6 C10 1.495(2) . ?
N7 C12 1.473(3) . ?
N8 C14 1.492(2) . ?
C1 C2 1.486(2) . ?
C2 C3 1.503(3) . ?
C4 C5 1.536(2) . ?
C6 C7 1.507(3) . ?
C7 C8 1.484(2) . ?
C9 C10 1.519(2) . ?
C11 C12 1.524(2) . ?
C13 C14 1.513(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ni1 Co1 O1 -38.71(8) . . . . ?
N3 Ni1 Co1 O1 163.78(8) . . . . ?
N1 Ni1 Co1 O1 -15.44(7) . . . . ?
N4 Ni1 Co1 O1 144.23(7) . . . . ?
N2 Ni1 Co1 O4 -173.54(8) . . . . ?
N3 Ni1 Co1 O4 28.95(8) . . . . ?
N1 Ni1 Co1 O4 -150.26(7) . . . . ?
N4 Ni1 Co1 O4 9.40(6) . . . . ?
N2 Ni1 Co1 N7 5.53(8) . . . . ?
N3 Ni1 Co1 N7 -151.97(8) . . . . ?
N1 Ni1 Co1 N7 28.81(7) . . . . ?
N4 Ni1 Co1 N7 -171.53(7) . . . . ?
N2 Ni1 Co1 N6 -110.36(8) . . . . ?
N3 Ni1 Co1 N6 92.13(8) . . . . ?
N1 Ni1 Co1 N6 -87.08(7) . . . . ?
N4 Ni1 Co1 N6 72.58(7) . . . . ?
N2 Ni1 Co1 N5 139.26(8) . . . . ?
N3 Ni1 Co1 N5 -18.25(8) . . . . ?
N1 Ni1 Co1 N5 162.54(7) . . . . ?
N4 Ni1 Co1 N5 -37.80(7) . . . . ?
N2 Ni1 Co1 N8 79.85(8) . . . . ?
N3 Ni1 Co1 N8 -77.65(8) . . . . ?
N1 Ni1 Co1 N8 103.13(7) . . . . ?
N4 Ni1 Co1 N8 -97.21(7) . . . . ?
O4 Co1 O1 N1 56.28(11) . . . . ?
N7 Co1 O1 N1 -126.73(11) . . . . ?
N6 Co1 O1 N1 140.02(11) . . . . ?
N5 Co1 O1 N1 -152.2(3) . . . . ?
N8 Co1 O1 N1 -35.20(11) . . . . ?
Ni1 Co1 O1 N1 19.61(8) . . . . ?
N7 Co1 O1 O4 176.99(5) . . . . ?
N6 Co1 O1 O4 83.73(6) . . . . ?
N5 Co1 O1 O4 151.5(3) . . . . ?
N8 Co1 O1 O4 -91.48(6) . . . . ?
Ni1 Co1 O1 O4 -36.67(5) . . . . ?
O1 Co1 O4 N4 -48.19(11) . . . . ?
N7 Co1 O4 N4 178.0(7) . . . . ?
N6 Co1 O4 N4 -137.47(11) . . . . ?
N5 Co1 O4 N4 136.64(11) . . . . ?
N8 Co1 O4 N4 49.89(11) . . . . ?
Ni1 Co1 O4 N4 -12.14(8) . . . . ?
N7 Co1 O4 O1 -133.8(8) . . . . ?
N6 Co1 O4 O1 -89.28(6) . . . . ?
N5 Co1 O4 O1 -175.17(5) . . . . ?
N8 Co1 O4 O1 98.08(6) . . . . ?
Ni1 Co1 O4 O1 36.06(5) . . . . ?
N1 O1 O4 N4 6.56(11) . . . . ?
Co1 O1 O4 N4 139.35(9) . . . . ?
N1 O1 O4 Co1 -132.79(10) . . . . ?
Co1 O1 N1 C2 149.44(12) . . . . ?
O4 O1 N1 C2 -177.80(13) . . . . ?
Co1 O1 N1 Ni1 -38.89(15) . . . . ?
O4 O1 N1 Ni1 -6.13(11) . . . . ?
N2 Ni1 N1 C2 -2.24(12) . . . . ?
N3 Ni1 N1 C2 16.9(4) . . . . ?
N4 Ni1 N1 C2 177.10(11) . . . . ?
Co1 Ni1 N1 C2 -165.90(14) . . . . ?
N2 Ni1 N1 O1 -174.17(13) . . . . ?
N3 Ni1 N1 O1 -155.0(3) . . . . ?
N4 Ni1 N1 O1 5.17(13) . . . . ?
Co1 Ni1 N1 O1 22.17(10) . . . . ?
N3 Ni1 N2 C3 -175.43(13) . . . . ?
N1 Ni1 N2 C3 0.99(13) . . . . ?
N4 Ni1 N2 C3 -175.1(3) . . . . ?
Co1 Ni1 N2 C3 19.57(16) . . . . ?
N3 Ni1 N2 C4 6.57(13) . . . . ?
N1 Ni1 N2 C4 -177.01(13) . . . . ?
N4 Ni1 N2 C4 6.9(4) . . . . ?
Co1 Ni1 N2 C4 -158.43(10) . . . . ?
N2 Ni1 N3 C6 173.42(13) . . . . ?
N1 Ni1 N3 C6 154.3(3) . . . . ?
N4 Ni1 N3 C6 -6.52(12) . . . . ?
Co1 Ni1 N3 C6 -22.35(16) . . . . ?
N2 Ni1 N3 C5 11.72(12) . . . . ?
N1 Ni1 N3 C5 -7.4(4) . . . . ?
N4 Ni1 N3 C5 -168.23(12) . . . . ?
Co1 Ni1 N3 C5 175.95(9) . . . . ?
Co1 O4 N4 C7 -161.58(11) . . . . ?
O1 O4 N4 C7 169.66(12) . . . . ?
Co1 O4 N4 Ni1 24.11(16) . . . . ?
O1 O4 N4 Ni1 -4.64(11) . . . . ?
N2 Ni1 N4 C7 4.2(4) . . . . ?
N3 Ni1 N4 C7 4.58(11) . . . . ?
N1 Ni1 N4 C7 -171.73(11) . . . . ?
Co1 Ni1 N4 C7 171.48(13) . . . . ?
N2 Ni1 N4 O4 178.7(3) . . . . ?
N3 Ni1 N4 O4 179.08(12) . . . . ?
N1 Ni1 N4 O4 2.77(13) . . . . ?
Co1 Ni1 N4 O4 -14.02(9) . . . . ?
O1 Co1 N5 C13 142.1(3) . . . . ?
O4 Co1 N5 C13 -66.00(10) . . . . ?
N7 Co1 N5 C13 116.74(10) . . . . ?
N6 Co1 N5 C13 -149.78(10) . . . . ?
N8 Co1 N5 C13 24.19(10) . . . . ?
Ni1 Co1 N5 C13 -28.43(12) . . . . ?
O1 Co1 N5 C9 -98.9(3) . . . . ?
O4 Co1 N5 C9 52.97(10) . . . . ?
N7 Co1 N5 C9 -124.29(11) . . . . ?
N6 Co1 N5 C9 -30.80(10) . . . . ?
N8 Co1 N5 C9 143.16(11) . . . . ?
Ni1 Co1 N5 C9 90.55(10) . . . . ?
O1 Co1 N5 C11 20.3(3) . . . . ?
O4 Co1 N5 C11 172.22(9) . . . . ?
N7 Co1 N5 C11 -5.03(10) . . . . ?
N6 Co1 N5 C11 88.45(10) . . . . ?
N8 Co1 N5 C11 -97.58(10) . . . . ?
Ni1 Co1 N5 C11 -150.20(8) . . . . ?
O1 Co1 N6 C10 179.12(11) . . . . ?
O4 Co1 N6 C10 -81.60(12) . . . . ?
N7 Co1 N6 C10 95.49(12) . . . . ?
N5 Co1 N6 C10 8.54(11) . . . . ?
N8 Co1 N6 C10 -30.9(5) . . . . ?
Ni1 Co1 N6 C10 -129.86(10) . . . . ?
O1 Co1 N7 C12 168.29(12) . . . . ?
O4 Co1 N7 C12 -57.5(8) . . . . ?
N6 Co1 N7 C12 -101.78(12) . . . . ?
N5 Co1 N7 C12 -16.07(11) . . . . ?
N8 Co1 N7 C12 70.56(12) . . . . ?
Ni1 Co1 N7 C12 133.19(10) . . . . ?
O1 Co1 N8 C14 -169.49(10) . . . . ?
O4 Co1 N8 C14 91.14(11) . . . . ?
N7 Co1 N8 C14 -85.60(11) . . . . ?
N6 Co1 N8 C14 40.8(4) . . . . ?
N5 Co1 N8 C14 1.46(11) . . . . ?
Ni1 Co1 N8 C14 143.93(11) . . . . ?
O1 N1 C2 C1 -4.3(2) . . . . ?
Ni1 N1 C2 C1 -176.71(13) . . . . ?
O1 N1 C2 C3 175.28(12) . . . . ?
Ni1 N1 C2 C3 2.83(17) . . . . ?
C4 N2 C3 O2 -2.1(3) . . . . ?
Ni1 N2 C3 O2 -179.96(13) . . . . ?
C4 N2 C3 C2 178.10(15) . . . . ?
Ni1 N2 C3 C2 0.27(18) . . . . ?
N1 C2 C3 O2 178.21(15) . . . . ?
C1 C2 C3 O2 -2.2(2) . . . . ?
N1 C2 C3 N2 -2.01(19) . . . . ?
C1 C2 C3 N2 177.55(15) . . . . ?
C3 N2 C4 C5 160.88(16) . . . . ?
Ni1 N2 C4 C5 -21.30(19) . . . . ?
C6 N3 C5 C4 174.81(15) . . . . ?
Ni1 N3 C5 C4 -25.36(18) . . . . ?
N2 C4 C5 N3 27.57(19) . . . . ?
C5 N3 C6 O3 -11.8(3) . . . . ?
Ni1 N3 C6 O3 -171.69(13) . . . . ?
C5 N3 C6 C7 166.71(15) . . . . ?
Ni1 N3 C6 C7 6.83(17) . . . . ?
O4 N4 C7 C8 0.2(2) . . . . ?
Ni1 N4 C7 C8 175.27(12) . . . . ?
O4 N4 C7 C6 -176.99(12) . . . . ?
Ni1 N4 C7 C6 -1.96(16) . . . . ?
O3 C6 C7 N4 175.58(14) . . . . ?
N3 C6 C7 N4 -3.03(19) . . . . ?
O3 C6 C7 C8 -1.7(2) . . . . ?
N3 C6 C7 C8 179.68(14) . . . . ?
C13 N5 C9 C10 162.18(15) . . . . ?
C11 N5 C9 C10 -72.65(18) . . . . ?
Co1 N5 C9 C10 46.43(16) . . . . ?
Co1 N6 C10 C9 15.71(17) . . . . ?
N5 C9 C10 N6 -40.60(19) . . . . ?
C13 N5 C11 C12 -93.83(16) . . . . ?
C9 N5 C11 C12 141.42(13) . . . . ?
Co1 N5 C11 C12 24.54(14) . . . . ?
Co1 N7 C12 C11 32.87(16) . . . . ?
N5 C11 C12 N7 -37.39(18) . . . . ?
C9 N5 C13 C14 -160.40(15) . . . . ?
C11 N5 C13 C14 75.54(18) . . . . ?
Co1 N5 C13 C14 -44.79(16) . . . . ?
Co1 N8 C14 C13 -26.64(16) . . . . ?
N5 C13 C14 N8 47.00(19) . . . . ?
